3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazin-6-amine

C21H22FN9O — CID 66551704

IUPAC3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESFc1cccnc1Nc1ncc(-c2cnc3ccc(NCCN4CCOCC4)nn23)cn1
InChIInChI=1S/C21H22FN9O/c22-16-2-1-5-24-20(16)28-21-26-12-15(13-27-21)17-14-25-19-4-3-18(29-31(17)19)23-6-7-30-8-10-32-11-9-30/h1-5,12-14H,6-11H2,(H,23,29)(H,24,26,27,28)
InChIKeyAWBZWMFDDAZDBC-UHFFFAOYSA-N
MW435.47 g/mol
LogP2.21
Rot. Bonds7

About 3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazin-6-amine

3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 66551704) has the molecular formula C21H22FN9O and a molecular weight of 435.47 g/mol. Its IUPAC name is 3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID66551704
Molecular FormulaC21H22FN9O
Molecular Weight435.47 g/mol
Exact Mass435.19
IUPAC Name3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESFc1cccnc1Nc1ncc(-c2cnc3ccc(NCCN4CCOCC4)nn23)cn1
InChIInChI=1S/C21H22FN9O/c22-16-2-1-5-24-20(16)28-21-26-12-15(13-27-21)17-14-25-19-4-3-18(29-31(17)19)23-6-7-30-8-10-32-11-9-30/h1-5,12-14H,6-11H2,(H,23,29)(H,24,26,27,28)
InChIKeyAWBZWMFDDAZDBC-UHFFFAOYSA-N
XLogP2.21
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.47
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazin-6-amine with MolForge

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Launch Full Analysis

Related Compounds

Apy0201
CID 56927660
Bay-41-8543
CID 9953906
1-Methyl-3-{4-[4-morpholin-4-yl-1-(1-pyridin-3-ylmethyl-piperidin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-phenyl}-urea
CID 25260915
Pyrazolo pyrimidine, 24
CID 44233639
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
CID 70984064
Vabametkib
CID 73504719
5-(2-Morpholin-4-Yl-7-Pyridin-3-Yl-6,7-Dihydro-5h-Pyrrolo[2,3-D]pyrimidin-4-Yl)-Pyrimidin-2-Ylamine
CID 24889936
US9266891, III-19
CID 90161075
6-[1-[(2S)-1-methoxypropan-2-yl]-6-[(3S)-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 118067807
N-ethyl-6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-amine
CID 89914090
(R)-3-ethyl-5-(3-methylpiperazin-1-yl)-N-(pyrimidin-4-yl)-1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11225074
(R)-3-methyl-5-(3-methylpiperazin-1-yl)-N-(pyrimidin-4-yl)-1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11247946

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazin-6-amine (CID 66551704) is 3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazin-6-amine is Fc1cccnc1Nc1ncc(-c2cnc3ccc(NCCN4CCOCC4)nn23)cn1.
What is the InChIKey of 3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is AWBZWMFDDAZDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN9O/c22-16-2-1-5-24-20(16)28-21-26-12-15(13-27-21)17-14-25-19-4-3-18(29-31(17)19)23-6-7-30-8-10-32-11-9-30/h1-5,12-14H,6-11H2,(H,23,29)(H,24,26,27,28).
What are the key properties of 3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazin-6-amine?
3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 435.47 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-fluoro-2-pyridinyl)amino]pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 66551704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).